6,8-dibromo-4-chloro-2-methylquinoline

• ChemBase ID: 816041
• Molecular Formular: C10H6Br2ClN
• Molecular Mass: 335.42234
• Monoisotopic Mass: 332.85555088
• SMILES: c1c(c2c(cc1Br)c(cc(n2)C)Cl)Br
• Canonical SMILES: Brc1cc(Br)c2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C10H6Br2ClN/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h2-4H,1H3
• InChIKey: UJAIYNLCWBKOPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dibromo-4-chloro-2-methylquinoline
• IUPAC Traditional name: 6,8-dibromo-4-chloro-2-methylquinoline
• Synonyms: 4-CHLORO-6,8-DIBROMO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 203626-29-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4037147
• LogD (pH = 7.4): 4.403819
• Log P: 4.4038205
• Molar Refractivity: 64.6212 cm^3
• Polarizability: 26.267828 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%